SCHEMBL12568787

SCHEMBL12568787

CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@H](OP(=O)(O)O)C(OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 19/20 1.00
LY96 Q9Y6Y9 4/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12621433 1.00 TLR4 (1.00) TLR4LY96
SCHEMBL12568788 1.00 TLR4 (1.00) TLR4LY96
SCHEMBL14376659 1.00 TLR4 (1.00) TLR4LY96
SCHEMBL2004544 1.00 TLR4 (1.00) TLR4LY96
SCHEMBL13705667 1.00 TLR4 (1.00) TLR4LY96
SCHEMBL6062580 1.00 TLR4 (1.00) TLR4LY96
SCHEMBL12621288 1.00 TLR4 (1.00) TLR4LY96
SCHEMBL93754 1.00 TLR4 (1.00) TLR4LY96
SCHEMBL3928640 0.96 TLR4 (0.93) TLR4LY96
SCHEMBL2007366 0.96 TLR4 (0.93) TLR4LY96

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960523-B2 Processes for the production of aminoalkyl glucosaminide phosphate and disaccharide immunoeffectors, and intermediates therefor CORIXA CORPORATION (US) 2011-06-14 US disclosed
US-20080033155-A1 PROCESSES FOR THE PRODUCTION OF AMINOALKYL GLUCOSAMINIDE PHOSPHATE AND DISACCHARIDE IMMUNOEFFECTORS, AND INTERMEDIATES THEREFOR CORIXA CORPORATION (US) 2008-02-07 US disclosed